(E)-3-(4-aminophenyl)-2-(3-methoxy-4-oxidanyl-phenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(4-aminophenyl)-2-(3-methoxy-4-oxidanyl-phenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-aminophenyl)-2-(4-hydroxy-3-methoxy-benzoyl)prop-2-enenitrile CAS Name: (E)-3-(4-aminophenyl)-2-[(4-hydroxy-3-methoxyphenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(4-aminophenyl)-2-(4-hydroxy-3-methoxybenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(4-aminophenyl)-2-vanilloyl-acrylonitrile Formula: C17H14N2O3 MolecularWeight: 294.30466

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)C(=CC2=CC=C(C=C2)N)C#N)O

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)/C(=C/C2=CC=C(C=C2)N)/C#N)O

InChI

InChI=1S/C17H14N2O3/c1-22-16-9-12(4-7-15(16)20)17(21)13(10-18)8-11-2-5-14(19)6-3-11/h2-9,20H,19H2,1H3/b13-8+